CID 177843219

4-decyn-1-ol, 1-acetate

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCCCC#CCCCOC(=O)C
InChI
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-6,9-11H2,1-2H3
InChIKey
VYUBPDZXMBELNW-UHFFFAOYSA-N
Compound name
dec-4-ynyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 144.3
[M+Na]+ 219.13555 152.1
[M-H]- 195.13905 143.5
[M+NH4]+ 214.18015 162.1
[M+K]+ 235.10949 150.0
[M+H-H2O]+ 179.14359 133.2
[M+HCOO]- 241.14453 160.8
[M+CH3COO]- 255.16018 193.2
[M+Na-2H]- 217.12100 147.0
[M]+ 196.14578 143.1
[M]- 196.14688 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.